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Geometry for BH3PH3 (borane phosphine) 1A1 C3V

1910171554
InChI=1S/BH6P/c1-2/h1-2H3 INChIKey=

HF/CEP-121G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
B1 0.0000 0.0000 -1.5505   -1.5505 0.0000 0.0000
P2 0.0000 0.0000 0.6187   0.6187 0.0000 0.0000
H3 0.0000 -1.1822 -1.7893   -1.7893 -0.4151 -1.1069
H4 -1.0238 0.5911 -1.7893   -1.7893 -0.7511 0.9129
H5 1.0238 0.5911 -1.7893   -1.7893 1.1662 0.1940
H6 0.0000 1.2591 1.2800   1.2800 0.4421 1.1789
H7 -1.0904 -0.6295 1.2800   1.2800 -1.2420 -0.2066
H8 1.0904 -0.6295 1.2800   1.2800 0.7999 -0.9723
Atom - Atom Distances (Å)
  B1 P2 H3 H4 H5 H6 H7 H8
B1 2.1692 1.2061 1.2061 1.2061 3.0979 3.0979 3.0979
P2 2.1692 2.6825 2.6825 2.6825 1.4221 1.4221 1.4221
H3 1.2061 2.6825 2.0476 2.0476 3.9217 3.3037 3.3037
H4 1.2061 2.6825 2.0476 2.0476 3.3037 3.3037 3.9217
H5 1.2061 2.6825 2.0476 2.0476 3.3037 3.9217 3.3037
H6 3.0979 1.4221 3.9217 3.3037 3.3037 2.1808 2.1808
H7 3.0979 1.4221 3.3037 3.3037 3.9217 2.1808 2.1808
H8 3.0979 1.4221 3.3037 3.9217 3.3037 2.1808 2.1808
Maximum atom distance is 3.9217Å between atoms H4 and H8.
picture of borane phosphine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
B1 P2 H6 117.708 B1 P2 H7 117.708
B1 P2 H8 117.708 P2 B1 H3 101.418
P2 B1 H4 101.418 P2 B1 H5 101.418
H3 B1 H4 116.182 H3 B1 H5 116.182
H4 B1 H5 116.182 H6 P2 H7 100.120
H6 P2 H8 100.120 H7 P2 H8 100.120

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.